Compound Detail
CHEMBL4298140
TOMIVOSERTIB HYDROCHLORIDE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4298140 |
| Name | TOMIVOSERTIB HYDROCHLORIDE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | WBGPPUUXCGKTSC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4073443 |
| Active Moiety | CHEMBL4073443 |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
3
Known Names
1
Indications
Molecular Properties
340.4
MW (Da)
1.63
ALogP
7
HBA
3
HBD
114.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 11.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of MNK2 (unknown origin) expressed in HEK293 cells assessed as decrea... | 30530193 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of MNK1 (unknown origin) expressed in HEK293 cells assessed as decrea... | 30530193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30530193 | 10.1016/j.ejmech.2018.11.072 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine